4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide

C14H21N3OS — CID 81115324

IUPAC4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(N2CCC(C)(O)CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H21N3OS/c1-9-8-11(12(13(15)19)10(2)16-9)17-6-4-14(3,18)5-7-17/h8,18H,4-7H2,1-3H3,(H2,15,19)
InChIKeyHWNWAFVPARGGPA-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.68
Rot. Bonds2

About 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide

4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81115324) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81115324
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(N2CCC(C)(O)CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H21N3OS/c1-9-8-11(12(13(15)19)10(2)16-9)17-6-4-14(3,18)5-7-17/h8,18H,4-7H2,1-3H3,(H2,15,19)
InChIKeyHWNWAFVPARGGPA-UHFFFAOYSA-N
XLogP1.68
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
CID 81060329
2-(4-hydroxy-4-methylazepan-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 107404636
2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbothioamide
CID 81035294
2,6-dimethyl-4-(1,4-oxazepan-4-yl)pyridine-3-carbothioamide
CID 81054283
4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053376
2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 62930076
2,6-dimethyl-4-(4-methyl-3-oxopiperazin-1-yl)pyridine-3-carbothioamide
CID 81054010
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide
CID 81060692
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbothioamide
CID 112625491
4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052131
4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81037183
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide (CID 81115324) is 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(N2CCC(C)(O)CC2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is HWNWAFVPARGGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-8-11(12(13(15)19)10(2)16-9)17-6-4-14(3,18)5-7-17/h8,18H,4-7H2,1-3H3,(H2,15,19).
What are the key properties of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide?
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81115324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).